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PubMed code 1320121

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
mu/kappa opioid receptor


(GUINEA PIG)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000790
PNG
(CHEMBL76023 | methyl 2-[4-cyclopropylmethyl-10,17-...)
Show SMILES COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50013388
PNG
(6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dime...)
Show SMILES CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001709
PNG
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000798
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21-,22-,25+,27+,28-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50453225
PNG
(CHEMBL2310843)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCCN=S
Show InChI InChI=1S/C22H28N2O4S/c25-15-4-3-14-11-17-22(26)6-5-16(27-10-8-23-29)20-21(22,18(14)19(15)28-20)7-9-24(17)12-13-1-2-13/h3-4,13,16-17,20,25-26H,1-2,5-12H2/t16-,17-,20+,21+,22-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000790
PNG
(CHEMBL76023 | methyl 2-[4-cyclopropylmethyl-10,17-...)
Show SMILES COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000796
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21+,22+,25-,27-,28+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000793
PNG
(4-cyclopropylmethyl-14-(2-oxiranylmethoxy)-12-oxa-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CO1
Show InChI InChI=1S/C23H29NO5/c25-16-4-3-14-9-18-23(26)6-5-17(28-12-15-11-27-15)21-22(23,19(14)20(16)29-21)7-8-24(18)10-13-1-2-13/h3-4,13,15,17-18,21,25-26H,1-2,5-12H2/t15-,17-,18-,21+,22+,23-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000789
PNG
(5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19+,20+,23-,25-,26+/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000797
PNG
(4-cyclopropylmethyl-14-(2-oxiranylmethoxy)-12-oxa-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CO1
Show InChI InChI=1S/C23H29NO5/c25-16-4-3-14-9-18-23(26)6-5-17(28-12-15-11-27-15)21-22(23,19(14)20(16)29-21)7-8-24(18)10-13-1-2-13/h3-4,13,15,17-18,21,25-26H,1-2,5-12H2/t15-,17+,18+,21-,22-,23+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000795
PNG
(5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19-,20-,23+,25+,26-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50453225
PNG
(CHEMBL2310843)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCCN=S
Show InChI InChI=1S/C22H28N2O4S/c25-15-4-3-14-11-17-22(26)6-5-16(27-10-8-23-29)20-21(22,18(14)19(15)28-20)7-9-24(17)12-13-1-2-13/h3-4,13,16-17,20,25-26H,1-2,5-12H2/t16-,17-,20+,21+,22-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000798
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21-,22-,25+,27+,28-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000796
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21+,22+,25-,27-,28+/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000795
PNG
(5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19-,20-,23+,25+,26-/m1/s1
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n/an/a 9.10n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000793
PNG
(4-cyclopropylmethyl-14-(2-oxiranylmethoxy)-12-oxa-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CO1
Show InChI InChI=1S/C23H29NO5/c25-16-4-3-14-9-18-23(26)6-5-17(28-12-15-11-27-15)21-22(23,19(14)20(16)29-21)7-8-24(18)10-13-1-2-13/h3-4,13,15,17-18,21,25-26H,1-2,5-12H2/t15-,17-,18-,21+,22+,23-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000797
PNG
(4-cyclopropylmethyl-14-(2-oxiranylmethoxy)-12-oxa-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CO1
Show InChI InChI=1S/C23H29NO5/c25-16-4-3-14-9-18-23(26)6-5-17(28-12-15-11-27-15)21-22(23,19(14)20(16)29-21)7-8-24(18)10-13-1-2-13/h3-4,13,15,17-18,21,25-26H,1-2,5-12H2/t15-,17+,18+,21-,22-,23+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000793
PNG
(4-cyclopropylmethyl-14-(2-oxiranylmethoxy)-12-oxa-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CO1
Show InChI InChI=1S/C23H29NO5/c25-16-4-3-14-9-18-23(26)6-5-17(28-12-15-11-27-15)21-22(23,19(14)20(16)29-21)7-8-24(18)10-13-1-2-13/h3-4,13,15,17-18,21,25-26H,1-2,5-12H2/t15-,17-,18-,21+,22+,23-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000797
PNG
(4-cyclopropylmethyl-14-(2-oxiranylmethoxy)-12-oxa-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CO1
Show InChI InChI=1S/C23H29NO5/c25-16-4-3-14-9-18-23(26)6-5-17(28-12-15-11-27-15)21-22(23,19(14)20(16)29-21)7-8-24(18)10-13-1-2-13/h3-4,13,15,17-18,21,25-26H,1-2,5-12H2/t15-,17+,18+,21-,22-,23+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000789
PNG
(5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19+,20+,23-,25-,26+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001709
PNG
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000790
PNG
(CHEMBL76023 | methyl 2-[4-cyclopropylmethyl-10,17-...)
Show SMILES COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001709
PNG
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000796
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21+,22+,25-,27-,28+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000789
PNG
(5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19+,20+,23-,25-,26+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453225
PNG
(CHEMBL2310843)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCCN=S
Show InChI InChI=1S/C22H28N2O4S/c25-15-4-3-14-11-17-22(26)6-5-16(27-10-8-23-29)20-21(22,18(14)19(15)28-20)7-9-24(17)12-13-1-2-13/h3-4,13,16-17,20,25-26H,1-2,5-12H2/t16-,17-,20+,21+,22-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000795
PNG
(5-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CC(=C)C(=O)O1
Show InChI InChI=1S/C26H31NO6/c1-14-10-17(32-24(14)29)13-31-19-6-7-26(30)20-11-16-4-5-18(28)22-21(16)25(26,23(19)33-22)8-9-27(20)12-15-2-3-15/h4-5,15,17,19-20,23,28,30H,1-3,6-13H2/t17-,19-,20-,23+,25+,26-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000798
PNG
(4-cyclopropylmethyl-10-hydroxy-14-(4-methylene-5-o...)
Show SMILES CC(=O)O[C@]12CC[C@@H](OC[C@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O
Show InChI InChI=1S/C28H33NO7/c1-15-11-19(34-26(15)32)14-33-21-7-8-28(36-16(2)30)22-12-18-5-6-20(31)24-23(18)27(28,25(21)35-24)9-10-29(22)13-17-3-4-17/h5-6,17,19,21-22,25,31H,1,3-4,7-14H2,2H3/t19-,21-,22-,25+,27+,28-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%